Search

Symmetric Nonnegative Matrix Factorization (SymNMF) is a technique in data analysis and machine learning that approximates a symmetric matrix with a product of a nonnegative, low-rank matrix and its transpose. To design faster and more scalable algorithms for SymNMF we develop two randomized algorithms for its computation. The first algorithm uses randomized matrix sketching to compute an initial low-rank input matrix and proceeds to use this input to rapidly compute a SymNMF. The second algorithm uses randomized leverage score sampling to approximately solve constrained least squares problems. Many successful methods for SymNMF rely on (approximately) solving sequences of constrained least squares problems. We prove theoretically that leverage score sampling can approximately solve nonnegative least squares problems to a chosen accuracy with high probability. Finally we demonstrate that both methods work well in practice by applying them to graph clustering tasks on large real world data sets. These experiments show that our methods approximately maintain solution quality and achieve significant speed ups for both large dense and large sparse problems.

In this work, we design, analyze, and optimize sequential and shared-memory parallel algorithms for partitioned local depths (PaLD). Given a set of data points and pairwise distances, PaLD is a method for identifying strength of pairwise relationships based on relative distances, enabling the identification of strong ties within dense and sparse communities even if their sizes and within-community absolute distances vary greatly. We design two algorithmic variants that perform community structure analysis through triplet comparisons of pairwise distances. We present theoretical analyses of computation and communication costs and prove that the sequential algorithms are communication optimal, up to constant factors. We introduce performance optimization strategies that yield sequential speedups of up to $29\times$ over a baseline sequential implementation and parallel speedups of up to $19.4\times$ over optimized sequential implementations using up to $32$ threads on an Intel multicore CPU.

The Tucker tensor decomposition is a natural extension of the singular value decomposition (SVD) to multiway data. We propose to accelerate Tucker tensor decomposition algorithms by using randomization and parallelization. We present two algorithms that scale to large data and many processors, significantly reduce both computation and communication cost compared to previous deterministic and randomized approaches, and obtain nearly the same approximation errors. The key idea in our algorithms is to perform randomized sketches with Kronecker-structured random matrices, which reduces computation compared to unstructured matrices and can be implemented using a fundamental tensor computational kernel. We provide probabilistic error analysis of our algorithms and implement a new parallel algorithm for the structured randomized sketch. Our experimental results demonstrate that our combination of randomization and parallelization achieves accurate Tucker decompositions much faster than alternative approaches. We observe up to a 16X speedup over the fastest deterministic parallel implementation on 3D simulation data.

Multiple Tensor-Times-Matrix (Multi-TTM) is a key computation in algorithms for computing and operating with the Tucker tensor decomposition, which is frequently used in multidimensional data analysis. We establish communication lower bounds that determine how much data movement is required to perform the Multi-TTM computation in parallel. The crux of the proof relies on analytically solving a constrained, nonlinear optimization problem. We also present a parallel algorithm to perform this computation that organizes the processors into a logical grid with twice as many modes as the input tensor. We show that with correct choices of grid dimensions, the communication cost of the algorithm attains the lower bounds and is therefore communication optimal. Finally, we show that our algorithm can significantly reduce communication compared to the straightforward approach of expressing the computation as a sequence of tensor-times-matrix operations.

Communication lower bounds have long been established for matrix multiplication algorithms. However, most methods of asymptotic analysis have either ignored the constant factors or not obtained the tightest possible values. Recent work has demonstrated that more careful analysis improves the best known constants for some classical matrix multiplication lower bounds and helps to identify more efficient algorithms that match the leading-order terms in the lower bounds exactly and improve practical performance. The main result of this work is the establishment of memory-independent communication lower bounds with tight constants for parallel matrix multiplication. Our constants improve on previous work in each of three cases that depend on the relative sizes of the aspect ratios of the matrices.

The CP tensor decomposition is used in applications such as machine learning and signal processing to discover latent low-rank structure in multidimensional data. Computing a CP decomposition via an alternating least squares (ALS) method reduces the problem to several linear least squares problems. The standard way to solve these linear least squares subproblems is to use the normal equations, which inherit special tensor structure that can be exploited for computational efficiency. However, the normal equations are sensitive to numerical ill-conditioning, which can compromise the results of the decomposition. In this paper, we develop versions of the CP-ALS algorithm using the QR decomposition and the singular value decomposition (SVD), which are more numerically stable than the normal equations, to solve the linear least squares problems. Our algorithms utilize the tensor structure of the CP-ALS subproblems efficiently, have the same complexity as the standard CP-ALS algorithm when the rank is small, and are shown via examples to produce more stable results when ill-conditioning is present. Our MATLAB implementation achieves the same running time as the standard algorithm for small ranks, and we show that the new methods can obtain lower approximation error and more reliably recover low-rank signals from data with known ground truth.

The Tensor-Train (TT) format is a highly compact low-rank representation for high-dimensional tensors. TT is particularly useful when representing approximations to the solutions of certain types of parametrized partial differential equations. For many of these problems, computing the solution explicitly would require an infeasible amount of memory and computational time. While the TT format makes these problems tractable, iterative techniques for solving the PDEs must be adapted to perform arithmetic while maintaining the implicit structure. The fundamental operation used to maintain feasible memory and computational time is called rounding, which truncates the internal ranks of a tensor already in TT format. We propose several randomized algorithms for this task that are generalizations of randomized low-rank matrix approximation algorithms and provide significant reduction in computation compared to deterministic TT-rounding algorithms. Randomization is particularly effective in the case of rounding a sum of TT-tensors (where we observe 20x speedup), which is the bottleneck computation in the adaptation of GMRES to vectors in TT format. We present the randomized algorithms and compare their empirical accuracy and computational time with deterministic alternatives.

We present efficient and scalable parallel algorithms for performing mathematical operations for low-rank tensors represented in the tensor train (TT) format. We consider algorithms for addition, elementwise multiplication, computing norms and inner products, orthogonalization, and rounding (rank truncation). These are the kernel operations for applications such as iterative Krylov solvers that exploit the TT structure. The parallel algorithms are designed for distributed-memory computation, and we use a data distribution and strategy that parallelizes computations for individual cores within the TT format. We analyze the computation and communication costs of the proposed algorithms to show their scalability, and we present numerical experiments that demonstrate their efficiency on both shared-memory and distributed-memory parallel systems. For example, we observe better single-core performance than the existing MATLAB TT-Toolbox in rounding a 2GB TT tensor, and our implementation achieves a $34\times$ speedup using all 40 cores of a single node. We also show nearly linear parallel scaling on larger TT tensors up to over 10,000 cores for all mathematical operations.

We introduce a Generalized Randomized QR-decomposition that may be applied to arbitrary products of matrices and their inverses, without needing to explicitly compute the products or inverses. This factorization is a critical part of a communication-optimal spectral divide-and-conquer algorithm for the nonsymmetric eigenvalue problem. In this paper, we establish that this randomized QR-factorization satisfies the strong rank-revealing properties. We also formally prove its stability, making it suitable in applications. Finally, we present numerical experiments which demonstrate that our theoretical bounds capture the empirical behavior of the factorization.

We consider the problem of low-rank approximation of massive dense non-negative tensor data, for example to discover latent patterns in video and imaging applications. As the size of data sets grows, single workstations are hitting bottlenecks in both computation time and available memory. We propose a distributed-memory parallel computing solution to handle massive data sets, loading the input data across the memories of multiple nodes and performing efficient and scalable parallel algorithms to compute the low-rank approximation. We present a software package called PLANC (Parallel Low Rank Approximation with Non-negativity Constraints), which implements our solution and allows for extension in terms of data (dense or sparse, matrices or tensors of any order), algorithm (e.g., from multiplicative updating techniques to alternating direction method of multipliers), and architecture (we exploit GPUs to accelerate the computation in this work).We describe our parallel distributions and algorithms, which are careful to avoid unnecessary communication and computation, show how to extend the software to include new algorithms and/or constraints, and report efficiency and scalability results for both synthetic and real-world data sets., Comment: arXiv admin note: text overlap with arXiv:1806.07985

We consider the problem of joint three-dimensional (3D) localization and material classification of unresolved space debris using a multispectral rotating point spread function (RPSF). The use of RPSF allows one to estimate the 3D locations of point sources from their rotated images acquired by a single 2D sensor array, since the amount of rotation of each source image about its x, y location depends on its axial distance z. Using multi-spectral images, with one RPSF per spectral band, we are able not only to localize the 3D positions of the space debris but also classify their material composition. We propose a three-stage method for achieving joint localization and classification. In Stage 1, we adopt an optimization scheme for localization in which the spectral signature of each material is assumed to be uniform, which significantly improves efficiency and yields better localization results than possible with a single spectral band. In Stage 2, we estimate the spectral signature and refine the localization result via an alternating approach. We process classification in the final stage. Both Poisson noise and Gaussian noise models are considered, and the implementation of each is discussed. Numerical tests using multispectral data from NASA show the efficiency of our three-stage approach and illustrate the improvement of point source localization and spectral classification from using multiple bands over a single band., Comment: 25 pages

Our goal is compression of massive-scale grid-structured data, such as the multi-terabyte output of a high-fidelity computational simulation. For such data sets, we have developed a new software package called TuckerMPI, a parallel C++/MPI software package for compressing distributed data. The approach is based on treating the data as a tensor, i.e., a multidimensional array, and computing its truncated Tucker decomposition, a higher-order analogue to the truncated singular value decomposition of a matrix. The result is a low-rank approximation of the original tensor-structured data. Compression efficiency is achieved by detecting latent global structure within the data, which we contrast to most compression methods that are focused on local structure. In this work, we describe TuckerMPI, our implementation of the truncated Tucker decomposition, including details of the data distribution and in-memory layouts, the parallel and serial implementations of the key kernels, and analysis of the storage, communication, and computational costs. We test the software on 4.5 terabyte and 6.7 terabyte data sets distributed across 100s of nodes (1000s of MPI processes), achieving compression rates between 100-200,000$\times$ which equates to 99-99.999% compression (depending on the desired accuracy) in substantially less time than it would take to even read the same dataset from a parallel filesystem. Moreover, we show that our method also allows for reconstruction of partial or down-sampled data on a single node, without a parallel computer so long as the reconstructed portion is small enough to fit on a single machine, e.g., in the instance of reconstructing/visualizing a single down-sampled time step or computing summary statistics.

The CP tensor decomposition is a low-rank approximation of a tensor. We present a distributed-memory parallel algorithm and implementation of an alternating optimization method for computing a CP decomposition of dense tensor data that can enforce nonnegativity of the computed low-rank factors. The principal task is to parallelize the matricized-tensor times Khatri-Rao product (MTTKRP) bottleneck subcomputation. The algorithm is computation efficient, using dimension trees to avoid redundant computation across MTTKRPs within the alternating method. Our approach is also communication efficient, using a data distribution and parallel algorithm across a multidimensional processor grid that can be tuned to minimize communication. We benchmark our software on synthetic as well as hyperspectral image and neuroscience dynamic functional connectivity data, demonstrating that our algorithm scales well to 100s of nodes (up to 4096 cores) and is faster and more general than the currently available parallel software.

Interprocessor communication often dominates the runtime of large matrix computations. We present a parallel algorithm for computing QR decompositions whose bandwidth cost (communication volume) can be decreased at the cost of increasing its latency cost (number of messages). By varying a parameter to navigate the bandwidth/latency tradeoff, we can tune this algorithm for machines with different communication costs.

This is the second in a series of papers on rank decompositions of the matrix multiplication tensor. We present new rank $23$ decompositions for the $3\times 3$ matrix multiplication tensor $M_{\langle 3\rangle}$. All our decompositions have symmetry groups that include the standard cyclic permutation of factors but otherwise exhibit a range of behavior. One of them has 11 cubes as summands and admits an unexpected symmetry group of order 12. We establish basic information regarding symmetry groups of decompositions and outline two approaches for finding new rank decompositions of $M_{\langle n\rangle}$ for larger $n$.

The matricized-tensor times Khatri-Rao product (MTTKRP) is the computational bottleneck for algorithms computing CP decompositions of tensors. In this paper, we develop shared-memory parallel algorithms for MTTKRP involving dense tensors. The algorithms cast nearly all of the computation as matrix operations in order to use optimized BLAS subroutines, and they avoid reordering tensor entries in memory. We benchmark sequential and parallel performance of our implementations, demonstrating high sequential performance and efficient parallel scaling. We use our parallel implementation to compute a CP decomposition of a neuroimaging data set and achieve a speedup of up to $7.4\times$ over existing parallel software., Comment: 10 pages, 27 figures

The matricized-tensor times Khatri-Rao product computation is the typical bottleneck in algorithms for computing a CP decomposition of a tensor. In order to develop high performance sequential and parallel algorithms, we establish communication lower bounds that identify how much data movement is required for this computation in the case of dense tensors. We also present sequential and parallel algorithms that attain the lower bounds and are therefore communication optimal. In particular, we show that the structure of the computation allows for less communication than the straightforward approach of casting the computation as a matrix multiplication operation.

The CANDECOMP/PARAFAC (CP) decomposition is a leading method for the analysis of multiway data. The standard alternating least squares algorithm for the CP decomposition (CP-ALS) involves a series of highly overdetermined linear least squares problems. We extend randomized least squares methods to tensors and show the workload of CP-ALS can be drastically reduced without a sacrifice in quality. We introduce techniques for efficiently preprocessing, sampling, and computing randomized least squares on a dense tensor of arbitrary order, as well as an efficient sampling-based technique for checking the stopping condition. We also show more generally that the Khatri-Rao product (used within the CP-ALS iteration) produces conditions favorable for direct sampling. In numerical results, we see improvements in speed, reductions in memory requirements, and robustness with respect to initialization.

Non-negative matrix factorization (NMF) is the problem of determining two non-negative low rank factors $W$ and $H$, for the given input matrix $A$, such that $A \approx W H$. NMF is a useful tool for many applications in different domains such as topic modeling in text mining, background separation in video analysis, and community detection in social networks. Despite its popularity in the data mining community, there is a lack of efficient parallel algorithms to solve the problem for big data sets. The main contribution of this work is a new, high-performance parallel computational framework for a broad class of NMF algorithms that iteratively solves alternating non-negative least squares (NLS) subproblems for $W$ and $H$. It maintains the data and factor matrices in memory (distributed across processors), uses MPI for interprocessor communication, and, in the dense case, provably minimizes communication costs (under mild assumptions). The framework is flexible and able to leverage a variety of NMF and NLS algorithms, including Multiplicative Update, Hierarchical Alternating Least Squares, and Block Principal Pivoting. Our implementation allows us to benchmark and compare different algorithms on massive dense and sparse data matrices of size that spans for few hundreds of millions to billions. We demonstrate the scalability of our algorithm and compare it with baseline implementations, showing significant performance improvements. The code and the datasets used for conducting the experiments are available online., Comment: arXiv admin note: text overlap with arXiv:1509.09313

Many large-scale scientific computations require eigenvalue solvers in a scaling regime where efficiency is limited by data movement. We introduce a parallel algorithm for computing the eigenvalues of a dense symmetric matrix, which performs asymptotically less communication than previously known approaches. We provide analysis in the Bulk Synchronous Parallel (BSP) model with additional consideration for communication between a local memory and cache. Given sufficient memory to store $c$ copies of the symmetric matrix, our algorithm requires $\Theta(\sqrt{c})$ less interprocessor communication than previously known algorithms, for any $c\leq p^{1/3}$ when using $p$ processors. The algorithm first reduces the dense symmetric matrix to a banded matrix with the same eigenvalues. Subsequently, the algorithm employs successive reduction to $O(\log p)$ thinner banded matrices. We employ two new parallel algorithms that achieve lower communication costs for the full-to-band and band-to-band reductions. Both of these algorithms leverage a novel QR factorization algorithm for rectangular matrices.

We propose a fine-grained hypergraph model for sparse matrix-matrix multiplication (SpGEMM), a key computational kernel in scientific computing and data analysis whose performance is often communication bound. This model correctly describes both the interprocessor communication volume along a critical path in a parallel computation and also the volume of data moving through the memory hierarchy in a sequential computation. We show that identifying a communication-optimal algorithm for particular input matrices is equivalent to solving a hypergraph partitioning problem. Our approach is sparsity dependent, meaning that we seek the best algorithm for the given input matrices. In addition to our (3D) fine-grained model, we also propose coarse-grained 1D and 2D models that correspond to simpler SpGEMM algorithms. We explore the relations between our models theoretically, and we study their performance experimentally in the context of three applications that use SpGEMM as a key computation. For each application, we find that at least one coarse-grained model is as communication efficient as the fine-grained model. We also observe that different applications have affinities for different algorithms. Our results demonstrate that hypergraphs are an accurate model for reasoning about the communication costs of SpGEMM as well as a practical tool for exploring the SpGEMM algorithm design space.

As parallel computing trends towards the exascale, scientific data produced by high-fidelity simulations are growing increasingly massive. For instance, a simulation on a three-dimensional spatial grid with 512 points per dimension that tracks 64 variables per grid point for 128 time steps yields 8~TB of data, assuming double precision. By viewing the data as a dense five-way tensor, we can compute a Tucker decomposition to find inherent low-dimensional multilinear structure, achieving compression ratios of up to 5000 on real-world data sets with negligible loss in accuracy. So that we can operate on such massive data, we present the first-ever distributed-memory parallel implementation for the Tucker decomposition, whose key computations correspond to parallel linear algebra operations, albeit with nonstandard data layouts. Our approach specifies a data distribution for tensors that avoids any tensor data redistribution, either locally or in parallel. We provide accompanying analysis of the computation and communication costs of the algorithms. To demonstrate the compression and accuracy of the method, we apply our approach to real-world data sets from combustion science simulations. We also provide detailed performance results, including parallel performance in both weak and strong scaling experiments.

Sparse matrix-matrix multiplication (or SpGEMM) is a key primitive for many high-performance graph algorithms as well as for some linear solvers, such as algebraic multigrid. The scaling of existing parallel implementations of SpGEMM is heavily bound by communication. Even though 3D (or 2.5D) algorithms have been proposed and theoretically analyzed in the flat MPI model on Erdos-Renyi matrices, those algorithms had not been implemented in practice and their complexities had not been analyzed for the general case. In this work, we present the first ever implementation of the 3D SpGEMM formulation that also exploits multiple (intra-node and inter-node) levels of parallelism, achieving significant speedups over the state-of-the-art publicly available codes at all levels of concurrencies. We extensively evaluate our implementation and identify bottlenecks that should be subject to further research.

Non-negative matrix factorization (NMF) is the problem of determining two non-negative low rank factors $W$ and $H$, for the given input matrix $A$, such that $A \approx W H$. NMF is a useful tool for many applications in different domains such as topic modeling in text mining, background separation in video analysis, and community detection in social networks. Despite its popularity in the data mining community, there is a lack of efficient parallel software to solve the problem for big datasets. Existing distributed-memory algorithms are limited in terms of performance and applicability, as they are implemented using Hadoop and are designed only for sparse matrices. We propose a distributed-memory parallel algorithm that computes the factorization by iteratively solving alternating non-negative least squares (NLS) subproblems for $W$ and $H$. To our knowledge, our algorithm is the first high-performance parallel algorithm for NMF. It maintains the data and factor matrices in memory (distributed across processors), uses MPI for interprocessor communication, and, in the dense case, provably minimizes communication costs (under mild assumptions). As opposed to previous implementations, our algorithm is also flexible: (1) it performs well for dense and sparse matrices, and (2) it allows the user to choose from among multiple algorithms for solving local NLS subproblems within the alternating iterations. We demonstrate the scalability of our algorithm and compare it with baseline implementations, showing significant performance improvements.

Fast algorithms for matrix multiplication, namely those that perform asymptotically fewer scalar operations than the classical algorithm, have been considered primarily of theoretical interest. Apart from Strassen's original algorithm, few fast algorithms have been efficiently implemented or used in practical applications. However, there exist many practical alternatives to Strassen's algorithm with varying performance and numerical properties. Fast algorithms are known to be numerically stable, but because their error bounds are slightly weaker than the classical algorithm, they are not used even in cases where they provide a performance benefit. We argue in this paper that the numerical sacrifice of fast algorithms, particularly for the typical use cases of practical algorithms, is not prohibitive, and we explore ways to improve the accuracy both theoretically and empirically. The numerical accuracy of fast matrix multiplication depends on properties of the algorithm and of the input matrices, and we consider both contributions independently. We generalize and tighten previous error analyses of fast algorithms and compare their properties. We discuss algorithmic techniques for improving the error guarantees from two perspectives: manipulating the algorithms, and reducing input anomalies by various forms of diagonal scaling. Finally, we benchmark performance and demonstrate our improved numerical accuracy.

Given two sets of vectors, $A = \{{a_1}, \dots, {a_m}\}$ and $B=\{{b_1},\dots,{b_n}\}$, our problem is to find the top-$t$ dot products, i.e., the largest $|{a_i}\cdot{b_j}|$ among all possible pairs. This is a fundamental mathematical problem that appears in numerous data applications involving similarity search, link prediction, and collaborative filtering. We propose a sampling-based approach that avoids direct computation of all $mn$ dot products. We select diamonds (i.e., four-cycles) from the weighted tripartite representation of $A$ and $B$. The probability of selecting a diamond corresponding to pair $(i,j)$ is proportional to $({a_i}\cdot{b_j})^2$, amplifying the focus on the largest-magnitude entries. Experimental results indicate that diamond sampling is orders of magnitude faster than direct computation and requires far fewer samples than any competing approach. We also apply diamond sampling to the special case of maximum inner product search, and get significantly better results than the state-of-the-art hashing methods.

Matrix multiplication is a fundamental computation in many scientific disciplines. In this paper, we show that novel fast matrix multiplication algorithms can significantly outperform vendor implementations of the classical algorithm and Strassen's fast algorithm on modest problem sizes and shapes. Furthermore, we show that the best choice of fast algorithm depends not only on the size of the matrices but also the shape. We develop a code generation tool to automatically implement multiple sequential and shared-memory parallel variants of each fast algorithm, including our novel parallelization scheme. This allows us to rapidly benchmark over 20 fast algorithms on several problem sizes. Furthermore, we discuss a number of practical implementation issues for these algorithms on shared-memory machines that can direct further research on making fast algorithms practical.